REMARK  Name = BDB029690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.962  -1.257  -0.201  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1        2.666  -2.030  -1.431  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1        1.238  -2.343  -1.836  0.00  0.00    +0.079 C 
ATOM      4  N   LIG    1        0.129  -1.810  -1.009  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1        0.563  -1.741   0.403  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        2.064  -1.381  -2.643  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        1.786  -0.812   0.578  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        6.504   0.999   0.115  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1        5.522   1.201   1.023  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        4.393   0.454   0.886  0.00  0.00    +0.134 A 
ATOM     11  C   LIG    1        4.149  -0.498  -0.111  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        5.203  -0.671  -1.017  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        6.381   0.075  -0.913  0.00  0.00    +0.035 A 
BRANCH   8  17
ATOM     14  C   LIG    1        7.161   3.021   2.357  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.998   2.704   1.226  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.900   3.159   1.158  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.772   1.800   0.212  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.654   1.653  -0.637  0.00  0.00    -0.269 OA
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.105  -2.593  -1.168  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.328  -1.893  -0.630  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -2.661  -0.593  -1.030  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -3.807  -0.001  -0.514  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1       -4.592  -0.723   0.378  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -5.795  -0.103   0.917  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -6.185   1.141   0.573  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -5.297   1.918  -0.382  0.00  0.00    +0.253 A 
ATOM     27  O   LIG    1       -5.563   3.072  -0.709  0.00  0.00    -0.268 OA
ATOM     28  N   LIG    1       -4.307  -1.980   0.780  0.00  0.00    -0.253 NA
ATOM     29  N   LIG    1       -4.178   1.297  -0.871  0.00  0.00    -0.321 N 
ATOM     30  H   LIG    1       -3.611   1.841  -1.507  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1       -3.185  -2.535   0.264  0.00  0.00    +0.116 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -7.398   1.784   1.124  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -8.525   2.144   0.188  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -8.707   1.033   1.177  0.00  0.00    +0.009 C 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5